SCHEMBL6422490

SCHEMBL6422490

Cc1c([C@@H](C)C(=O)NCO)c2cc(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNH2 Q12809 1/20 0.35
RAB9A P51151 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6422491 1.00 ELANE (0.37) ELANEAKR1C3AKR1C2KDM4ELMNA
SCHEMBL5798836 0.93 AKR1C3 (0.40) ELANEAKR1C3AKR1C2KDM4ELMNA
SCHEMBL5800856 0.93 AKR1C3 (0.36) ELANEAKR1C3AKR1C2KDM4ELMNA
SCHEMBL5798826 0.93 AKR1C3 (0.40) ELANEAKR1C3AKR1C2KDM4ELMNA
SCHEMBL5798830 0.93 AKR1C3 (0.40) ELANEAKR1C3AKR1C2KDM4ELMNA
SCHEMBL5561036 0.91 TRPV1 (0.38) ELANEKDM4ELMNAMEN1KMT2A
SCHEMBL5561041 0.91 TRPV1 (0.38) ELANEKDM4ELMNAMEN1KMT2A
SCHEMBL5559891 0.89 AKR1C3 (0.37) ELANEAKR1C3AKR1C2KDM4ELMNA
SCHEMBL5559894 0.89 AKR1C3 (0.37) ELANEAKR1C3AKR1C2KDM4ELMNA
SCHEMBL6423736 0.89 AKR1C3 (0.39) ELANEAKR1C3AKR1C2KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 ELANE 1980/4885AKR1C3 585/4885AKR1C2 342/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 ELANE 2781/4885AKR1C3 577/4885AKR1C2 563/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.